7-(dimethylamino)-2-oxidanylidene-4-(sulfomethyl)chromene-3-sulfonic acid

Systemtic Name: 7-(dimethylamino)-2-oxidanylidene-4-(sulfomethyl)chromene-3-sulfonic acid Openeye Name: 7-(dimethylamino)-2-oxo-4-(sulfomethyl)chromene-3-sulfonic acid CAS Name: 7-(dimethylamino)-2-oxo-4-(sulfomethyl)-1-benzopyran-3-sulfonic acid IUPAC Name: 7-(dimethylamino)-2-oxo-4-(sulfomethyl)chromene-3-sulfonic acid Traditional Name: 7-(dimethylamino)-2-keto-4-(sulfomethyl)chromene-3-sulfonic acid Formula: C12H13NO8S2 MolecularWeight: 363.36352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C(C(=O)O2)S(=O)(=O)O)CS(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C(C(=O)O2)S(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C12H13NO8S2/c1-13(2)7-3-4-8-9(6-22(15,16)17)11(23(18,19)20)12(14)21-10(8)5-7/h3-5H,6H2,1-2H3,(H,15,16,17)(H,18,19,20)